1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide

C23H22N4O — CID 137375586

IUPAC1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(-n2nc(C)c(C(=O)Nc3ccc4ccccc4n3)c2C)c1
InChIInChI=1S/C23H22N4O/c1-14-9-10-15(2)20(13-14)27-17(4)22(16(3)26-27)23(28)25-21-12-11-18-7-5-6-8-19(18)24-21/h5-13H,1-4H3,(H,24,25,28)
InChIKeyRSKPZTWHOZOAOS-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.91
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide

1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375586) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375586
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(-n2nc(C)c(C(=O)Nc3ccc4ccccc4n3)c2C)c1
InChIInChI=1S/C23H22N4O/c1-14-9-10-15(2)20(13-14)27-17(4)22(16(3)26-27)23(28)25-21-12-11-18-7-5-6-8-19(18)24-21/h5-13H,1-4H3,(H,24,25,28)
InChIKeyRSKPZTWHOZOAOS-UHFFFAOYSA-N
XLogP4.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375586) is 1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide is Cc1ccc(C)c(-n2nc(C)c(C(=O)Nc3ccc4ccccc4n3)c2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is RSKPZTWHOZOAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-14-9-10-15(2)20(13-14)27-17(4)22(16(3)26-27)23(28)25-21-12-11-18-7-5-6-8-19(18)24-21/h5-13H,1-4H3,(H,24,25,28).
What are the key properties of 1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide?
1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).